| Properties | Image |
|---|
| MNX_ID | MNXM10379 |
 |
| reference | metacycM:CPD1G-773 |
| formula | C98H187O17P |
| global charge | -2 |
| mol weight | 1668.531 |
| InChIKey | ZLTUMIJWNAQHQS-WBSUMZSHSA-L |
| InChI | InChI=1S/C98H189O17P/c1-4-6-8-10-12-14-16-18-20-22-23-24-25-26-29-33-40-46-52-58-64-70-76-85(96(107)111-80-88-90(101)92(103)94(105)97(113-88)115-98-95(106)93(104)91(102)89(114-98)81-112-116(108,109)110)87(100)78-72-66-60-54-48-42-34-30-27-28-32-38-44-50-56-62-68-74-83-79-84(83)75-69-63-57-51-45-39-35-36-41-47-53-59-65-71-77-86(99)82(3)73-67-61-55-49-43-37-31-21-19-17-15-13-11-9-7-5-2/h82-85,87-95,97-98,100-106H,4-81H2,1-3H3,(H2,108,109,110)/p-2/t82?,83?,84?,85?,87-,88-,89-,90-,91-,92+,93+,94-,95-,97-,98-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](O)CCCCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C98H189O17P/c1-4-6-8-10-12-14-16-18-20-22-23-24-25-26-29-33-40-46-52-58-64-70-76-85(96(107)111-80-88-90(101)92(103)94(105)97(113-88)115-98-95(106)93(104)91(102)89(114-98)81-112-116(108,109)110)87(100)78-72-66-60-54-48-42-34-30-27-28-32-38-44-50-56-62-68-74-83-79-84(83)75-69-63-57-51-45-39-35-36-41-47-53-59-65-71-77-86(99)82(3)73-67-61-55-49-43-37-31-21-19-17-15-13-11-9-7-5-2/h82-85,87-95,97-98,100-106H,4-81H2,1-3H3,(H2,108,109,110)/t82?,83?,84?,85?,87-,88-,89-,90-,91-,92+,93+,94-,95-,97-,98-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:29][CH2:33][CH2:40][CH2:46][CH2:52][CH2:58][CH2:64][CH2:70][CH2:76][CH:85]([C@@H:87]([CH2:78][CH2:72][CH2:66][CH2:60][CH2:54][CH2:48][CH2:42][CH2:34][CH2:30][CH2:27][CH2:28][CH2:32][CH2:38][CH2:44][CH2:50][CH2:56][CH2:62][CH2:68][CH2:74][CH:83]1[CH2:79][CH:84]1[CH2:75][CH2:69][CH2:63][CH2:57][CH2:51][CH2:45][CH2:39][CH2:35][CH2:36][CH2:41][CH2:47][CH2:53][CH2:59][CH2:65][CH2:71][CH2:77][C:86]([CH:82]([CH3:3])[CH2:73][CH2:67][CH2:61][CH2:55][CH2:49][CH2:43][CH2:37][CH2:31][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])=[O:99])[OH:100])[C:96](=[O:107])[O:111][CH2:80][C@@H:88]1[C@@H:90]([OH:101])[C@H:92]([OH:103])[C@@H:94]([OH:105])[C@@H:97]([O:115][C@@H:98]2[C@H:95]([OH:106])[C@@H:93]([OH:104])[C@H:91]([OH:102])[C@@H:89]([CH2:81][O:112][P:116]([OH:108])([OH:109])=[O:110])[O:114]2)[O:113]1 |
|